2BSP

BACILLUS SUBTILIS PECTATE LYASE R279K MUTANT

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	1996-02-15
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	51.430, 69.710, 60.230
Unit cell angles	90.00, 112.65, 90.00

Refinement procedure

Resolution	10.000 - 1.800
Rwork	0.196
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	WILD TYPE STRUCTURE
RMSD bond length	0.005
RMSD bond angle	0.020
Data reduction software	DENZO
Data scaling software	CCP4 ((AGROVATA)
Phasing software	X-PLOR
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.000	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.085	0.152
Number of reflections	35454
<I/σ(I)>	12	4
Completeness [%]	96.0	99
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6		30 % PEG 4000 0.2 M AMMONIUM SULPHATE 0.1 M SODIUM ACETATE AT PH 4.6